N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-bromophenoxy)acetamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-2-(4-bromophenoxy)acetamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-(4-bromophenoxy)acetamide Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S/c23-17-9-11-18(12-10-17)27-14-21(26)24-13-15-5-7-16(8-6-15)22-25-19-3-1-2-4-20(19)28-22/h1-12H,13-14H2,(H,24,26)